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Sildenafil
SpectraBase Compound ID 9yv3RAUt40G
InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
InChIKey BNRNXUUZRGQAQC-UHFFFAOYSA-N
Mol Weight 474.58 g/mol
Molecular Formula C22H30N6O4S
Exact Mass 474.204925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KC7GQ2FwDA
Name Sildenafil
CAS Registry Number 139755-83-2
Classification Pharmaceutical drug, vasodilator
Comments Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 474.204924640 u
Formula C22H30N6O4S
InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
InChIKey BNRNXUUZRGQAQC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 474.580 g/mol
Nominal Mass 474 u
Quality 988
Retention Index 3891
SMILES C12=C(N=C(C=3C(=CC=C(S(N4CCN(CC4)C)(=O)=O)C3)OCC)NC1=O)C(=NN2C)CCC
SPLASH splash10-0002-9100100000-25e2ff674a802db7f0f9
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Viagra 3-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-7-methyl-9-propyl-\r2,4,7,8-tetrazabicyclo[4.3.0]nona-2,4,8,10-tetraen-5-ol
Technique GC/MS
Wiley ID DD2024_032302